Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Information

molecular Image
InChI InChI=1S/C7H6BrFO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3
SMILES COc1c(F)cccc1Br
InChI Key RLSQPLJXDTXSCL-UHFFFAOYSA-N
Exact Mass 205.024 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RLSQPLJXDTXSCL-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/RLSQPLJXDTXSCL-UHFFFAOYSA-N/CHMO0000597
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-22
Related Molecule
  • 1-bromo-3-fluoro-2-methoxybenzene
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    589662 surechembl
    16102688 pubchem
    Molport-001-773-000 molport
    The data in this table is sourced from UniChem at EBI.